Bioactive Compound Details
| BioID | bio2499 |
|---|---|
| Name | FANDOSENTAN |
| ChEMBL ID | CHEMBL2110610 |
| Molecular Formula | C25H18F3NO6S |
| Molecular Weight | 517.48 |
| Molecular Weight (Monoisotopic) | 517.0807 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | FANDOSENTAN |
| Smiles | CCc1cc(C2=C(C(=O)O)N(c3ccccc3C(F)(F)F)S(=O)(=O)c3ccccc32)cc2c1OCO2 |
| Inchi | InChI=1S/C25H18F3NO6S/c1-2-14-11-15(12-19-23(14)35-13-34-19)21-16-7-3-6-10-20(16)36(32,33)29(22(21)24(30)31)18-9-5-4-8-17(18)25(26,27)28/h3-12H,2,13H2,1H3,(H,30,31) |
| Inchi Key | YMGQBWRXNCAABF-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | -0.54 |
| Records Key | ['81'] |
| Records Name | ['Fandosentan'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
